tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);bis(manganese(2+));bis(manganese(3+));carbonate

C61H64Mn4N8O11 — CID 139177914

IUPACtetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);bis(manganese(2+));bis(manganese(3+));carbonate
SMILESC[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.O=C([O-])[O-].[Mn+2].[Mn+2].[Mn+3].[Mn+3]
InChIInChI=1S/4C15H16N2O2.CH2O3.4Mn/c4*1-14(18,12-7-3-5-9-16-12)11-15(2,19)13-8-4-6-10-17-13;2-1(3)4;;;;/h4*3-10H,11H2,1-2H3;(H2,2,3,4);;;;/q4*-2;;2*+2;2*+3/p-2/t4*14-,15+;;;;;
InChIKeyMAIDDUJSKJTORO-FRKJOSDASA-L
MW1304.98 g/mol
LogP0.41
Rot. Bonds16

About tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);bis(manganese(2+));bis(manganese(3+));carbonate

tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);bis(manganese(2+));bis(manganese(3+));carbonate (PubChem CID 139177914) has the molecular formula C61H64Mn4N8O11 and a molecular weight of 1304.98 g/mol. Its IUPAC name is tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);bis(manganese(2+));bis(manganese(3+));carbonate.

Molecular Properties

Compound Nametetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);bis(manganese(2+));bis(manganese(3+));carbonate
PubChem CID139177914
Molecular FormulaC61H64Mn4N8O11
Molecular Weight1304.98 g/mol
Exact Mass1304.22
IUPAC Nametetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);bis(manganese(2+));bis(manganese(3+));carbonate
SMILESC[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.O=C([O-])[O-].[Mn+2].[Mn+2].[Mn+3].[Mn+3]
InChIInChI=1S/4C15H16N2O2.CH2O3.4Mn/c4*1-14(18,12-7-3-5-9-16-12)11-15(2,19)13-8-4-6-10-17-13;2-1(3)4;;;;/h4*3-10H,11H2,1-2H3;(H2,2,3,4);;;;/q4*-2;;2*+2;2*+3/p-2/t4*14-,15+;;;;;
InChIKeyMAIDDUJSKJTORO-FRKJOSDASA-L
XLogP0.41
TPSA350.79 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001304.98
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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Related Compounds

tris((2S,4R)-2,4-dipyridin-2-ylpentane-2,4-diolate);tris(manganese(3+));oxygen(2-);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;hydrate
CID 139177913
Dioxidanium;bis(acetonitrile);bis(europium(3+));tetrakis(trifluoromethanesulfonate);bis(tripyridin-2-ylmethanolate)
CID 168337129
Dioxidanium;bis(acetonitrile);bis(terbium(3+));tetrakis(trifluoromethanesulfonate);bis(tripyridin-2-ylmethanolate)
CID 168337130
Heptakis(2,2-dimethylpropanoate);manganese(2+);hexakis(manganese(3+));tris(oxygen(2-));tetrakis(2-pyridin-2-ylpropan-2-olate);trihydroxide
CID 139131571
Tetrakis(dipyridin-2-ylmethanediolate);bis(manganese(2+));hexakis(manganese(3+));bis(methoxy(dipyridin-2-yl)methanolate);bis(oxygen(2-));propanoate
CID 139131613
Tetrakis(dipyridin-2-ylmethanediolate);manganese;octakis(oxygen(2-));propanoate;bis(terbium(3+));dinitrate
CID 139144144
Tetrakis(dipyridin-2-ylmethanediolate);bis(gadolinium(3+));manganese;octakis(oxygen(2-));propanoate;tetranitrate
CID 139144145
Tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate
CID 139144209
Tetrakis(dipyridin-2-ylmethanediolate);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine);tetranitrate
CID 139144210
Hexacopper;bis(cyanoazanidyl(dipyridin-2-yl)methanolate);tetrakis(methoxy(dipyridin-2-yl)methanolate);tetraperchlorate;dihydrate
CID 139156316
Heptakis(cobalt(2+));tetrakis(dichloromethane);dodecakis(pyridin-2-ylmethanolate);dichloride
CID 139157089
Bis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium)
CID 139158825

Frequently Asked Questions

What is the IUPAC name of tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);bis(manganese(2+));bis(manganese(3+));carbonate?
The IUPAC name of tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);bis(manganese(2+));bis(manganese(3+));carbonate (CID 139177914) is tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);bis(manganese(2+));bis(manganese(3+));carbonate.
What is the SMILES notation for tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);bis(manganese(2+));bis(manganese(3+));carbonate?
The canonical SMILES for tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);bis(manganese(2+));bis(manganese(3+));carbonate is C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)([O-])c1ccccn1)c1ccccn1.O=C([O-])[O-].[Mn+2].[Mn+2].[Mn+3].[Mn+3].
What is the InChIKey of tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);bis(manganese(2+));bis(manganese(3+));carbonate?
The InChIKey is MAIDDUJSKJTORO-FRKJOSDASA-L. The full InChI is InChI=1S/4C15H16N2O2.CH2O3.4Mn/c4*1-14(18,12-7-3-5-9-16-12)11-15(2,19)13-8-4-6-10-17-13;2-1(3)4;;;;/h4*3-10H,11H2,1-2H3;(H2,2,3,4);;;;/q4*-2;;2*+2;2*+3/p-2/t4*14-,15+;;;;;.
What are the key properties of tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);bis(manganese(2+));bis(manganese(3+));carbonate?
tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);bis(manganese(2+));bis(manganese(3+));carbonate has a molecular weight of 1304.98 g/mol, XLogP of 0.41, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((2R,4S)-2,4-dipyridin-2-ylpentane-2,4-diolate);bis(manganese(2+));bis(manganese(3+));carbonate is sourced from PubChem (CID 139177914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).